3-(acetyloxymethyl)-7-[(4-nitrophenyl)methylideneamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate

Systemtic Name: 3-(acetyloxymethyl)-7-[(4-nitrophenyl)methylideneamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Openeye Name: 3-(acetoxymethyl)-7-[(4-nitrophenyl)methyleneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate CAS Name: 3-(acetyloxymethyl)-7-[(4-nitrophenyl)methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate IUPAC Name: 3-(acetyloxymethyl)-7-[(4-nitrophenyl)methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(4-nitrobenzylidene)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonate Formula: C16H14N3O8S2- MolecularWeight: 440.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N=CC3=CC=C(C=C3)[N+](=O)[O-])SC1)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N=CC3=CC=C(C=C3)[N+](=O)[O-])SC1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15N3O8S2/c1-9(20)27-7-11-8-28-15-13(14(21)18(15)16(11)29(24,25)26)17-6-10-2-4-12(5-3-10)19(22)23/h2-6,13,15H,7-8H2,1H3,(H,24,25,26)/p-1